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Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by using graph structures based on the relational inductive bias (homophily assumption). While GNNs have been commonly believed to outperform NNs in real-world tasks, recent…

Machine Learning · Computer Science 2022-10-17 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Mingde Zhao , Shuyuan Zhang , Xiao-Wen Chang , Doina Precup

Previous work on symmetric group equivariant neural networks generally only considered the case where the group acts by permuting the elements of a single vector. In this paper we derive formulae for general permutation equivariant layers,…

Machine Learning · Computer Science 2020-04-09 Erik Henning Thiede , Truong Son Hy , Risi Kondor

Graph Neural Networks (GNNs) exhibit excellent performance when graphs have strong homophily property, i.e. connected nodes have the same labels. However, they perform poorly on heterophilic graphs. Several approaches address the issue of…

Machine Learning · Computer Science 2021-07-29 Vijay Lingam , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…

Machine Learning · Computer Science 2023-11-09 Haiyang Yu , Zhao Xu , Xiaofeng Qian , Xiaoning Qian , Shuiwang Ji

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine Learning · Computer Science 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Parameter-efficient fine-tuning (PEFT) significantly reduces computational and memory costs by updating only a small subset of the model's parameters, enabling faster adaptation to new tasks with minimal loss in performance. Previous…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 Manish Dhakal , Venkat R. Dasari , Rajshekhar Sunderraman , Yi Ding

We introduce a novel architecture for graph networks which is equivariant to any transformation in the coordinate embeddings that preserves the distance between neighbouring nodes. In particular, it is equivariant to the Euclidean and…

Machine Learning · Computer Science 2021-07-13 Francesco Farina , Emma Slade

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

We consider the problem of learning efficient and inductive graph convolutional networks for text classification with a large number of examples and features. Existing state-of-the-art graph embedding based methods such as predictive text…

Computation and Language · Computer Science 2020-09-01 Rahul Ragesh , Sundararajan Sellamanickam , Arun Iyer , Ram Bairi , Vijay Lingam

Neural Functional Networks (NFNs) have gained increasing interest due to their wide range of applications, including extracting information from implicit representations of data, editing network weights, and evaluating policies. A key…

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Machine Learning · Computer Science 2025-10-10 Yumeng Wang , Zengyi Wo , Wenjun Wang , Xingcheng Fu , Minglai Shao

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

Machine Learning · Computer Science 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely…

Machine Learning · Computer Science 2021-06-16 Jiong Zhu , Ryan A. Rossi , Anup Rao , Tung Mai , Nedim Lipka , Nesreen K. Ahmed , Danai Koutra

Graph inference plays an essential role in machine learning, pattern recognition, and classification. Signal processing based approaches in literature generally assume some variational property of the observed data on the graph. We make a…

Information Theory · Computer Science 2020-08-24 B. Subbareddy , Aditya Siripuram , Jingxin Zhang

Existing efforts are dedicated to designing many topologies and graph-aware strategies for the graph Transformer, which greatly improve the model's representation capabilities. However, manually determining the suitable Transformer…

Neural and Evolutionary Computing · Computer Science 2024-10-24 Chao Wang , Jiaxuan Zhao , Lingling Li , Licheng Jiao , Fang Liu , Shuyuan Yang

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

Machine Learning · Computer Science 2025-12-30 Ayushman Raghuvanshi , Gonzalo Mateos , Sundeep Prabhakar Chepuri

Graph neural networks (GNNs) have been shown promising in improving the efficiency of learning communication policies by leveraging their permutation properties. Nonetheless, existing works design GNNs only for specific wireless policies,…

Signal Processing · Electrical Eng. & Systems 2023-08-22 Shengjie Liu , Jia Guo , Chenyang Yang

Graph Neural Networks (GNNs) have achieved remarkable performance in modeling graphs for various applications. However, most existing GNNs assume the graphs exhibit strong homophily in node labels, i.e., nodes with similar labels are…

Machine Learning · Computer Science 2023-02-20 Enyan Dai , Shijie Zhou , Zhimeng Guo , Suhang Wang

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Artificial Intelligence · Computer Science 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

Most previous heterogeneous graph embedding models represent elements in a heterogeneous graph as vector representations in a low-dimensional Euclidean space. However, because heterogeneous graphs inherently possess complex structures, such…

Machine Learning · Computer Science 2024-04-16 Jongmin Park , Seunghoon Han , Soohwan Jeong , Sungsu Lim
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